SCHEMBL2247258

SCHEMBL2247258

O=S(=O)(Oc1ccc(C2(c3ccc(OCc4ccccc4)cc3)CCC(C(F)(F)F)CC2)cc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.45
PPARG P37231 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
PTPRZ1 P23471 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MGLL Q99685 3/20 0.40
AR P10275 5/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
UCHL1 P09936 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12356793 0.87 RORC (0.52) RORCPPARGCA12CA1CA2
SCHEMBL2253640 0.86 LMNA (0.54) RORCMMP2MMP13NPC1RAB9A
SCHEMBL2244088 0.84 NR4A2 (0.58) NPC1RAB9ASMN1; SMN2
SCHEMBL2247438 0.83 ESR2 (0.38) RORC
SCHEMBL2247348 0.81 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2
SCHEMBL8499207 0.80 CA12 (0.58) PPARGCA12CA1CA2CA9
SCHEMBL30215686 0.79 LMNA (0.45) RORCMMP2MMP13NPC1RAB9A
SCHEMBL2248748 0.77 CHRM4 (0.49)
SCHEMBL2244057 0.76 STS (0.44) RORCCA1CA2RAB9ASMN1; SMN2
SCHEMBL2250082 0.75 NR4A2 (0.65)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 RORC 784/4885PPARG 74/4885CA12 1857/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.